N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

C23H41IN4O2 — CID 111959428

IUPACN'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1cccc(OC)c1)N(CC)CC)N1CCC(OCC)CC1.I
InChIInChI=1S/C23H40N4O2.HI/c1-6-24-23(27-15-13-20(14-16-27)29-9-4)25-18-22(26(7-2)8-3)19-11-10-12-21(17-19)28-5;/h10-12,17,20,22H,6-9,13-16,18H2,1-5H3,(H,24,25);1H
InChIKeyWQLKZFRTEFIZEZ-UHFFFAOYSA-N
MW532.51 g/mol
LogP4.16
Rot. Bonds10

About N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111959428) has the molecular formula C23H41IN4O2 and a molecular weight of 532.51 g/mol. Its IUPAC name is N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111959428
Molecular FormulaC23H41IN4O2
Molecular Weight532.51 g/mol
Exact Mass532.23
IUPAC NameN'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1cccc(OC)c1)N(CC)CC)N1CCC(OCC)CC1.I
InChIInChI=1S/C23H40N4O2.HI/c1-6-24-23(27-15-13-20(14-16-27)29-9-4)25-18-22(26(7-2)8-3)19-11-10-12-21(17-19)28-5;/h10-12,17,20,22H,6-9,13-16,18H2,1-5H3,(H,24,25);1H
InChIKeyWQLKZFRTEFIZEZ-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111741606
4-ethoxy-N-ethyl-N'-[2-(3-methoxyphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959158
N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959752
4-ethoxy-N-ethyl-N'-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111960810
methyl 1-[N'-[2-(diethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111252103
methyl 1-[N-ethyl-N'-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111980090
4-ethoxy-N-ethyl-N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959716
methyl 1-[N-ethyl-N'-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111980091
N'-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960788
N-[2-[[N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927620
4-ethoxy-N'-[(3-ethoxyphenyl)methyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958734
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111037535

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide (CID 111959428) is N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(c1cccc(OC)c1)N(CC)CC)N1CCC(OCC)CC1.I.
What is the InChIKey of N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WQLKZFRTEFIZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2.HI/c1-6-24-23(27-15-13-20(14-16-27)29-9-4)25-18-22(26(7-2)8-3)19-11-10-12-21(17-19)28-5;/h10-12,17,20,22H,6-9,13-16,18H2,1-5H3,(H,24,25);1H.
What are the key properties of N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 532.51 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).